tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane

C22H38O2Si — CID 101345061

About tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane (PubChem CID 101345061) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane
• PubChem CID: 101345061
• Molecular Formula: C22H38O2Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane
• SMILES: CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C(C)[C@@H]2O1
• InChI: InChI=1S/C22H38O2Si/c1-13(2)16-11-10-14(3)19-18-12-17(15(4)21(23-18)20(16)19)24-25(8,9)22(5,6)7/h10,13,16,18-21H,11-12H2,1-9H3/t16-,18-,19-,20-,21+/m1/s1
• InChIKey: KLXTUHFAFTYUEU-MLZLACJZSA-N
• XLogP: 6.31
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane (CID 101345061) is tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane is CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C(C)[C@@H]2O1.

What is the InChIKey of tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane?

The InChIKey is KLXTUHFAFTYUEU-MLZLACJZSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-13(2)16-11-10-14(3)19-18-12-17(15(4)21(23-18)20(16)19)24-25(8,9)22(5,6)7/h10,13,16,18-21H,11-12H2,1-9H3/t16-,18-,19-,20-,21+/m1/s1.

What are the key properties of tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane?

tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101345061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).